Geometry & MOs

Info

ID:	280438
PubChem CID:	103849282
Reduced:	NO3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	295.124215
ΔH_f, kcal/mol:	-175.15
Dipole, Da:	4.96
IP(EA), eV:	-9.72(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylphenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CCCC(CCC)C(=O)NCC1(CCOC1)O

DOS

IR

Vibrations